Rb2SnHgI6
Alexandria ALEXAlex-ID: agm004929082 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_597_spg146
Rb2HgI4 SnI2
2022-08-02 07:26:47.224281
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004929082).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm004929082
data_agm004929082
_cell_length_a 8.62744
_cell_length_b 8.62592
_cell_length_c 9.70676
_cell_angle_alpha 63.63075
_cell_angle_beta 63.59181
_cell_angle_gamma 60.01173
_cell_volume 536.97371
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Rb1 Rb 0.52233 0.52257 0.43276 1.00000
Rb2 Rb 0.03967 0.03997 0.88041 1.00000
Sn1 Sn 0.81305 0.81308 0.56073 1.00000
Hg1 Hg 0.26110 0.26083 0.21700 1.00000
I1 I 0.60546 0.18398 0.23367 1.00000
I2 I 0.18443 0.97677 0.23324 1.00000
I3 I 0.97721 0.60521 0.23343 1.00000
I4 I 0.49835 0.68333 0.74146 1.00000
I5 I 0.68325 0.07727 0.74110 1.00000
I6 I 0.07675 0.49859 0.74141 1.00000
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